CID 3086796

(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6h)-one, 6-ethyl-

Structural Information

Molecular Formula
C18H14N2O2
SMILES
CCN1C2=CC=CC=C2N=CC3=C1OC4=CC=CC=C4C3=O
InChI
InChI=1S/C18H14N2O2/c1-2-20-15-9-5-4-8-14(15)19-11-13-17(21)12-7-3-6-10-16(12)22-18(13)20/h3-11H,2H2,1H3
InChIKey
HJHUNLYWCZLFJZ-UHFFFAOYSA-N
Compound name
6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.10553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 165.4
[M+Na]+ 313.09475 176.4
[M-H]- 289.09825 171.8
[M+NH4]+ 308.13935 179.8
[M+K]+ 329.06869 175.4
[M+H-H2O]+ 273.10279 157.7
[M+HCOO]- 335.10373 183.0
[M+CH3COO]- 349.11938 177.3
[M+Na-2H]- 311.08020 174.9
[M]+ 290.10498 166.8
[M]- 290.10608 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.